1-Bromo-3-chloro-2-methylpropane
Properties
- Molecular formula
- C4H8BrCl
- Molar mass
- 171.46 g/mol
- Exact mass
- 169.9498 Da
- Density
- 1.4845 g/mL (at 20 °C)
- Boiling point
- 155 °C
- logP
- 2.26Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 2
Hazards
Warning
- H302+H332 Harmful if swallowed or if inhaled11.1% of notifiers
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin75.9% of notifiers
- H315 Causes skin irritation77.8% of notifiers
- H319 Causes serious eye irritation87% of notifiers
- H332 Harmful if inhaled85.2% of notifiers
- H335 May cause respiratory irritation77.8% of notifiers
- H412 Harmful to aquatic life with long lasting effects11.1% of notifiers
Aggregated from 54 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
6974-77-2SMILES
CC(CCl)CBrInChIKey
ZKDOQFPDSUOLGF-UHFFFAOYSA-NInChI
InChI=1S/C4H8BrCl/c1-4(2-5)3-6/h4H,2-3H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Propane, 1-bromo-3-chloro-2-methyl-
- 2-Methyl-1-chloro-3-bromopropane
- 3-Bromo-2-methyl-1-chloropropane
- 1-Chloro-3-bromo-2-methylpropane
- NSC 21695
- 2-Methyl-1-bromo-3-chloropropane
Work with 1-Bromo-3-chloro-2-methylpropane
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
1-Bromo-2-methylbutane10422-35-250 % similar
(2S)-1-Bromo-2-methylbutane534-00-950 % similar
1-Chloro-2-methylbutane616-13-750 % similar
3-Bromo-2-methylpropan-1-ol40145-08-248 % similar
3-Chloro-2-methylpropyl(dimethyl)ammonium chloride4261-67-044 % similar
1,2-Dibromo-3-chloropropane96-12-843 % similar
2-Bromo-1-chloropropane3017-95-639 % similar
Isobutyl chloride513-36-038 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.